# generated using pymatgen
data_Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51407120
_cell_length_b   6.07518031
_cell_length_c   47.02128331
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.95534893
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg
_chemical_formula_sum   Mg28
_cell_volume   1404.039048
_cell_formula_units_Z   28
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg1  1  0.056542  0.956052  0.300725  1
  Mg  Mg2  1  0.166313  0.502101  0.285430  1
  Mg  Mg3  1  0.515771  0.867854  0.332278  1
  Mg  Mg4  1  0.621216  0.408808  0.316212  1
  Mg  Mg5  1  0.972533  0.780530  0.364163  1
  Mg  Mg6  1  0.079558  0.325036  0.348506  1
  Mg  Mg7  1  0.430756  0.695338  0.396545  1
  Mg  Mg8  1  0.535537  0.237964  0.380385  1
  Mg  Mg9  1  0.887426  0.608278  0.428917  1
  Mg  Mg10  1  0.992626  0.151245  0.412830  1
  Mg  Mg11  1  0.344566  0.522312  0.461331  1
  Mg  Mg12  1  0.449522  0.065277  0.445159  1
  Mg  Mg13  1  0.801605  0.436168  0.493742  1
  Mg  Mg14  1  0.906516  0.979048  0.477587  1
  Mg  Mg15  1  0.258692  0.350276  0.526128  1
  Mg  Mg16  1  0.363603  0.893156  0.509973  1
  Mg  Mg17  1  0.715686  0.264048  0.558556  1
  Mg  Mg18  1  0.820641  0.807012  0.542384  1
  Mg  Mg19  1  0.172581  0.178079  0.590885  1
  Mg  Mg20  1  0.277781  0.721046  0.574798  1
  Mg  Mg21  1  0.629670  0.091360  0.623330  1
  Mg  Mg22  1  0.734452  0.633987  0.607170  1
  Mg  Mg23  1  0.085650  0.004288  0.655209  1
  Mg  Mg24  1  0.192675  0.548794  0.639552  1
  Mg  Mg25  1  0.543992  0.920516  0.687503  1
  Mg  Mg26  1  0.649437  0.461470  0.671437  1
  Mg  Mg27  1  0.998894  0.827223  0.718285  1
  Mg  Mg28  1  0.108666  0.373273  0.702990  1
